Showing posts with label HF. Show all posts
Showing posts with label HF. Show all posts

Sunday, April 19, 2026

Detail study of Hartree Fock and its assumptions

 

Hartree–Fock (HF) Method

Scientists asked:

“How can we simplify the many-electron problem?”

Replace complex interactions with an average field. This is the Hartree–Fock idea.

Main Assumption

Each electron moves in the average field of all other electrons instead of tracking exact electron–electron motion.

Basis Sets

  Basis Sets in Quantum Chemistry HF, MP2, and CC   are methods used for how to calculate energy Now the question is With what mathem...